SCHEMBL6005836

SCHEMBL6005836

COC(=O)C1(C)CC1(Br)Br

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP2C9 P11712 2/20 0.42
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28710888 0.81 MEN1 (0.50) CYP3A4CYP2C19SMN1; SMN2HPGDLMNA
SCHEMBL3341865 0.79 MEN1 (0.48) CYP3A4CYP2C19SMN1; SMN2HPGDLMNA
SCHEMBL11941497 0.75 MEN1 (0.46) CYP3A4CYP2C19LMNAKMT2AMEN1
SCHEMBL10690351 0.75 KMT2A (0.46) SMN1; SMN2HPGDLMNAKMT2AMEN1
SCHEMBL11941449 0.75 MEN1 (0.46) CYP3A4CYP2C19LMNAKMT2AMEN1
SCHEMBL5934973 0.75 CYP3A4 (0.44) CYP3A4CYP2C19SMN1; SMN2HPGDLMNA
SCHEMBL28857096 0.73 MEN1 (0.48) CYP3A4CYP2C19SMN1; SMN2HPGDLMNA
SCHEMBL5934352 0.70
SCHEMBL6736653 0.70 MEN1 (0.41) CYP3A4LMNAKMT2AMEN1GAA
SCHEMBL29751383 0.70 LMNA (0.39) CYP3A4CYP2C19LMNAKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358896-B2 LRRK2 inhibitors and methods of making and using thereof DENALI THERAPEUTICS INC. (US) 2025-07-15 US disclosed
EP-3953348-B1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC (US) 2024-12-18 EP disclosed
US-20220220094-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-07-14 US disclosed
US-20220153728-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-19 US disclosed
EP-3953348-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2022-02-16 EP disclosed
CN-113939294-A Compounds, compositions and methods 戴纳立制药公司 2022-01-14 CN disclosed
WO-2020210684-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2020-10-15 WO disclosed
US-20200157081-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2020-05-21 US disclosed
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040260097-A1 Insecticidal and acaricidal 3-substituted pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2004-12-23 US disclosed
EP-1432688-A1 INSECTICIDAL AND ACARICIDAL 3-SUBSTITUTED PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2004-06-30 EP disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
WO-2003029222-A1 INSECTICIDAL AND ACARICIDAL 3-SUBSTITUTED PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220220094-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, GSK3B, SNCA CYP3A4 2756/4885CYP2C19 2208/4885SMN1; SMN2 63/4885
US-20200157081-A1 COMPOUNDS, COMPOSITIONS AND METHODS LRRK2, SNCA, GSK3B CYP3A4 3266/4885CYP2C19 2838/4885SMN1; SMN2 95/4885
US-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP CYP3A4 212/4885CYP2C19 385/4885SMN1; SMN2 2060/4885
US-20220153728-A1 COMPOUNDS, COMPOSITIONS AND METHODS LRRK2, SNCA, GSK3B CYP3A4 3266/4885CYP2C19 2838/4885SMN1; SMN2 95/4885
US-20040260097-A1 Insecticidal and acaricidal 3-substituted pyrazoles SCN3A, KCNH1, HCN3 CYP3A4 1491/4885CYP2C19 3017/4885SMN1; SMN2 1603/4885
US-12358896-B2 LRRK2 inhibitors and methods of making and using thereof LRRK2, PARK7, GSK3B CYP3A4 4037/4885CYP2C19 3095/4885SMN1; SMN2 174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.